N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine

C8H16N2 — CID 167271918

IUPACN-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(N/N=C\C)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-6-9-10-7(2)8(3,4)5/h6,10H,2H2,1,3-5H3/b9-6-
InChIKeyDMQUEVZZALCXJH-TWGQIWQCSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds2

About N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine

N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine (PubChem CID 167271918) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound NameN-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine
PubChem CID167271918
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine
SMILESC=C(N/N=C\C)C(C)(C)C
InChIInChI=1S/C8H16N2/c1-6-9-10-7(2)8(3,4)5/h6,10H,2H2,1,3-5H3/b9-6-
InChIKeyDMQUEVZZALCXJH-TWGQIWQCSA-N
XLogP2.14
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine (CID 167271918) is N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine is C=C(N/N=C\C)C(C)(C)C.
What is the InChIKey of N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine?
The InChIKey is DMQUEVZZALCXJH-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H16N2/c1-6-9-10-7(2)8(3,4)5/h6,10H,2H2,1,3-5H3/b9-6-.
What are the key properties of N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine?
N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-ethylideneamino]-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 167271918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).